SCHEMBL6196873

SCHEMBL6196873

[CH2]CC=CCCc1cc(OCC)c(OCC)c(OCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
TSHR P16473 2/20 0.39
ALDH1A1 P00352 4/20 0.37
EGFR P00533 1/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CALM1 P0DP23 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
IGF1R P08069 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6196869 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7339812 0.83 HTR2A (0.44) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7339802 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7339807 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7496340 0.79 HTR2A (0.53) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL11392849 0.76 HTR2A (0.50) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL6775456 0.75 TSHR (0.48) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL20970954 0.72 HTR2A (0.79) HTR2AHTR2CHTR2BTSHRHSD17B10
SCHEMBL7426586 0.69 HTR2A (0.50) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL7954477 0.69 TSHR (0.43) HTR2AHTR2CHTR2BTSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed